Structure of PDB 3g52 Chain A Binding Site BS03

Receptor Information
>3g52 Chain A (length=145) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTLFADNQETIGYF
KRLGDVSQGMANDKLRGHSITLMYALQNFIDQLDNPDDLVCVVEKFAVNH
ITRKISAAEFGKINGPIKKVLASKNFGDKYANAWAKLVAVVQAAL
Ligand information
Ligand IDCEE
InChIInChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyMNNZINNZIQVULG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCl
ACDLabs 10.04
CACTVS 3.341		ClCCc1ccccc1
FormulaC8 H9 Cl
Name(2-chloroethyl)benzene
ChEMBL
DrugBank
ZINCZINC000001641679
PDB chain3g52 Chain A Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3g52 Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		I25 N32 L36 V121 L122 W135
Binding residue
(residue number reindexed from 1)		I24 N31 L35 V120 L121 W134
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0015671 oxygen transport
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3g52, PDBe:3g52, PDBj:3g52
PDBsum3g52
PubMed19913484
UniProtP02213|GLB1_ANAIN Globin-1

[Back to BioLiP]